8-chloro-2-({[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Chemical Structure Depiction of
8-chloro-2-({[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
8-chloro-2-({[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1696 |
| Compound Name: | 8-chloro-2-({[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one |
| Molecular Weight: | 398.87 |
| Molecular Formula: | C19 H15 Cl N4 O2 S |
| Smiles: | COc1cccc(c1)c1nnc([nH]1)SCC1=CC(c2cccc(c2N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8667 |
| logD: | 2.6902 |
| logSw: | -4.3027 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.56 |
| InChI Key: | XIXKTYAUHQKDSO-UHFFFAOYSA-N |